N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-5-bromanyl-2-ethoxy-benzenesulfonamide

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-5-bromanyl-2-ethoxy-benzenesulfonamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-5-bromo-2-ethoxy-benzenesulfonamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-5-bromo-2-ethoxybenzenesulfonamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-5-bromo-2-ethoxybenzenesulfonamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-5-bromo-2-ethoxy-benzenesulfonamide Formula: C20H27BrN4O4S MolecularWeight: 499.42178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3

InChI

InChI=1S/C20H27BrN4O4S/c1-2-28-17-8-7-16(21)13-18(17)30(26,27)24-9-12-29-20-14-19(22-15-23-20)25-10-5-3-4-6-11-25/h7-8,13-15,24H,2-6,9-12H2,1H3